Modelling of thermo-chemical properties over the sub-solidus MgO–FeO binary, as a function of iron spin configuration, composition and temperature

Thermo-chemical properties and T–X phase relations diagram of the (Mg,Fe)O solid solution are modelled using mixing Helmholtz energy, ΔF(T,x)mixing, calculated by quantum mechanical and semi-empirical techniques. The sub-solidus MgO–FeO binary has been explored as a function of composition, with iron either in high-spin (HS) or low-spin (LS) configuration. Only the HS model provides physically sound results at room pressure, yielding a correct trend of cell edge versus composition, whereas LS’s issues are at variance with observations. Mixing Helmholtz energy has been parametrized by the following relationship: ΔF(T,x)mixing = x × y × [U0(T) + U1(T) × (x – y) + U2(T) × (x − y)2]−T × S(x,y)config, where y = 1−x and Uj(T) are polynomials in T of the second order. ΔF(T,x)mixing exhibits a quasi-symmetric behaviour and allows one to build the T–X phase relations diagram over the MgO–FeO join. The HS model including vibrational contribution to the Helmholtz energy predicts a solid solution’s critical temperature of some 950 K, remarkably larger than olivine’s and Mg–Fe garnet’s. All this points to a more difficult Mg–Fe mixing in periclase-like structure than olivine and garnet, which, in turn, provide more structure degrees of freedom for atomic relaxation. From ΔF(T,x)mixing, we have then derived ΔH(T,x)excess and ΔS(T,x)excess. The former, characterized by a quasi-regular behaviour, has been parametrized through W × x × (1−x), obtaining WH,Mg–Fe of 17.7(5) kJ/mol. ΔS(T,x)excess, in turn, increases as a function of temperature, showing absolute figures confined within 0.1 J/mol/K. Mixing Gibbs energy, calculated combining the present issues with earlier theoretical determinations of the magnesio-wüstite’s elastic properties, has shown that the HS configuration is stable and promote Mg–Fe solid solution up to ≈15 GPa

Fe-periclase reactivity at Earth's lower mantle conditions: Ab-initio geochemical modelling

Intrinsic and extrinsic stability of the (Mg,Fe)O solid mixture in the Fe-Mg-Si-O system at high P, T conditions relevant to the Earth\u2019s mantle is investigated by the combination of quantum mechanical calculations (Hartree- 26 Fock/DFT hybrid scheme), cluster expansion techniques and statistical thermodynamics. Iron in the (Mg,Fe)O binary mixture is assumed to be either in the low spin (LS) or in the high spin (HS) state. Un-mixing at solid state is observed only for the LS condition in the 23\u201342 GPa pressure range, whereas HS does not give rise to un-mixing. LS (Mg,Fe)O un-mixings are shown to be able to incorporate iron by subsolidus reactions with a reservoir of a virtual bridgmanite composition, for a maximum total enrichment of 0.22 FeO. At very high P (up to 130/3150 GPa/K), a predominant (0.7 phase proportion), iron-rich Fe-periclase mixture (Mg0.50Fe0.50)O is formed, and it coexists, at constrained phase composition conditions, with two iron-poor assemblages [(Mg0.90Fe0.10)O and (Mg0.825Fe0.175)O]. These theoretical results agree with the compositional variability and frequency of occurrence observed in lower mantle Fe-periclase from diamond inclusions and from HP-HT synthesis products. The density difference among the Fe-periclase phases increases up to 10%, between 24 and 130 GPa. The calculated bulk Fe/Mg partitioning coefficient between the bridgmanite reservoir and Fe-periclase, Kd, is 0.64 at 24 GPa; it then drops to 0.19 at 80 GPa, and becomes quasi-invariant (0.18\u20130.16) in the lowermost portion of the Earth\u2019s mantle (80\u2013 130 GPa). These Kd-values represent an approximate estimate for the Fe/Mg-partitioning between actual bridgmanite and Fe-periclase. Consequently, our Kd-values agree with experimental measurements and theoretical determinations, hinting that iron preferentially dissolves in periclase with respect to all the other iron-bearing phases of the lower mantle. The continuous change up to 80 GPa (2000 km depth) of the products (compositions and phase proportions) over the MgO-FeO binary causes geochemical heterogeneities throughout the lower mantle, but it does not give rise to any sharp discontinuity. In this view, anomalies like the ULVZs, explained with a local and abrupt change of density, do not seem primarily ascribable to the mixing behavior and reactivity of (Mg,Fe)O at subsolidus

Electromagnetic dipole moments of charged baryons with bent crystals at the LHC

We propose a unique program of measurements of electric and magnetic dipole moments of charm, beauty and strange charged baryons at the LHC, based on the phenomenon of spin precession of channeled particles in bent crystals. Studies of crystal channeling and spin precession of positively- and negatively-charged particles are presented, along with feasibility studies and expected sensitivities for the proposed experiment using a layout based on the LHCb detector.Comment: 19 pages, 13 figure

Dopant profiling on ultra shallow junctions in Si with ADF-STEM

The utmost scaling of the electronic devices nowadays attained, requires both ultra shallow junctions and high levels of dopant concentration and activation. In these conditions, the presence of surfaces or interfaces assumes a very important role in the determination of the dopant distribution during post-implantation annealing. In this work, we show how the Z-contrast annular dark field scanning transmission electron microscopy (ADF-STEM) technique, pionereed by Pennycook and coworkers [1], can be optimised to give reliable dopant profiles at a subnanometer scale thus satisfying some of the new needs of the ultra shallow implants characterization

Glycine Receptor Antibody-Associated Progressive Encephalomyelitis with Rigidity and Myoclonus (PERM) During SARS-CoV-2 Infection: a Video-Case Report

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Investigation of dopant profiles in nanosized materials by scanning transmission electron microscopy

Scanning electron microscopy is capable to provide chemical information on specimens interesting for the field of materials science and nanotechnology. The spatial resolution and the chemical information provided by incoherent imaging and detection of transmitted, forward-scattered electrons can reveal useful information about the specimen composition and microstructure. This paper discusses the capability and potential of low-voltage Scanning Transmission Electron Microscopy (STEM) for the characterization of multilayered structures and dopant profiles in crystalline materials

Efficient Passive ICS Device Discovery and Identification by MAC Address Correlation

Owing to a growing number of attacks, the assessment of Industrial Control Systems (ICSs) has gained in importance. An integral part of an assessment is the creation of a detailed inventory of all connected devices, enabling vulnerability evaluations. For this purpose, scans of networks are crucial. Active scanning, which generates irregular traffic, is a method to get an overview of connected and active devices. Since such additional traffic may lead to an unexpected behavior of devices, active scanning methods should be avoided in critical infrastructure networks. In such cases, passive network monitoring offers an alternative, which is often used in conjunction with complex deep-packet inspection techniques. There are very few publications on lightweight passive scanning methodologies for industrial networks. In this paper, we propose a lightweight passive network monitoring technique using an efficient Media Access Control (MAC) address-based identification of industrial devices. Based on an incomplete set of known MAC address to device associations, the presented method can guess correct device and vendor information. Proving the feasibility of the method, an implementation is also introduced and evaluated regarding its efficiency. The feasibility of predicting a specific device/vendor combination is demonstrated by having similar devices in the database. In our ICS testbed, we reached a host discovery rate of 100% at an identification rate of more than 66%, outperforming the results of existing tools.Comment: http://dx.doi.org/10.14236/ewic/ICS2018.

Great occipital nerve long-acting steroid injections in cluster headache therapy: an observational prospective study

Background: Injections targeting the occipital nerve are used to reduce headache attacks and abort cluster bouts in cluster headache patients. There is no widely accepted agreement over the optimal technique of injection, type and doses of steroids and/or anesthetics to use, as well as injection regimens. The aim of this study was to verify the effectiveness and safety of greater occipital nerve long-acting steroid injections in the management of episodic and chronic cluster headache. Methods: We conducted a prospective observational cohort study on episodic (ECH) and chronic cluster headache patients (CCH). ECH were included in the study at the beginning of a cluster period. Three injections with 60 mg methylprednisolone were performed on alternate days. We registered the frequency and intensity of attacks three days before and 3, 7 and 30 days after the treatment, the latency of cluster relapse, adverse events, scores evaluating anxiety (Zung scale), depression (Beck’s Depression Scale) and quality of life (Disability Assessment Schedule II, 12-Item Self-Administered Version). Primary outcome was the interruption of the cluster after the three injections. Responders conducted a follow-up period of 12 months. Results: We enrolled 60 patients, 47 with ECH and 13 with CCH. We observed a complete response in 47.8% (22/46) of episodic and 33.3% (4/12) of chronic patients. Moreover, a partial response (reduction of at least 50% of attacks) was obtained in further 10.8% (5/46) of episodic and in 33.3% (4/12) of chronic patients at 1 month. Median pain-free period was of 3 months for CCH responders. Only mild adverse events were reported in 38.3% (23/58) cases. Conclusions: We suggest three greater occipital nerve injections of 60 mg methylprednisolone on alternate days as useful therapy in episodic and chronic cluster headache. This leads to a long pain-free period in chronic forms. Adverse effects are mild and support its use as first choice. Trial registration: The study was inserted in AIFA observational studies register

Clinical Management of Long-Term Survivors after Classical Hodgkin Lymphoma and Diffuse Large B-Cell Lymphoma

Compared to other patients suffering from hematological malignancies, classical Hodgkin lymphoma (cHL) and diffuse large B-cell lymphoma (DLBCL) patients have a long life expectancy when in complete remission at the end of first, or sometimes second, line treatments [...]